propan-2-yl 3-(3-carbamimidoylphenyl)-2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]propanoate

Systemtic Name: propan-2-yl 3-(3-carbamimidoylphenyl)-2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]propanoate Openeye Name: isopropyl 3-(3-carbamimidoylphenyl)-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3-carbamimidoylphenyl)-2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]propionic acid isopropyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=CC(=C1)C(=N)N)NC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)OC(=O)C(CC1=CC=CC(=C1)C(=N)N)NC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H28N4O5S/c1-16(2)34-25(31)22(13-17-6-5-9-20(12-17)24(26)27)29-23(30)15-28-35(32,33)21-11-10-18-7-3-4-8-19(18)14-21/h3-12,14,16,22,28H,13,15H2,1-2H3,(H3,26,27)(H,29,30)